C23H38N7O17P3S
Acetyl-CoA
809.1258
142-62-1
CAS
1871-67-6
CAS
trans-Dodec-2-enoic acid
1.0
Dodecanoic acid
1.0
C01771
KEGG Compound
552744
ChemSpider
CHEBI:30794
ChEBI
3-OXODODECANOATE
BioCyc
Reaction1248
false
Acetyl-CoA → Malonyl-CoA
LEFT_TO_RIGHT
PW000167
PathWhiz
3-Hydroxybutyric acid
Caproic acid
CPD-195
BioCyc
CHEBI:30776
ChEBI
ReactionCatalysis962
ACTIVATION
3-oxohexadecanoic acid
CHEBI:37162
ChEBI
5312804
PubChem-compound
CHEBI:30772
ChEBI
SMILES
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS
trans-Tetra-dec-2-enoic acid
CHEBI:41131
ChEBI
4445841
ChemSpider
ReactionCatalysis2050
ACTIVATION
Cytosol
1.0
1.0
ReactionCatalysis2053
ACTIVATION
ReactionCatalysis2052
ACTIVATION
ReactionCatalysis2055
ACTIVATION
ReactionCatalysis2054
ACTIVATION
ReactionCatalysis2057
ACTIVATION
94
ChemSpider
ReactionCatalysis2056
ACTIVATION
Fatty acid synthase
C00249
KEGG Compound
1.0
C01571
KEGG Compound
11005
PubChem-compound
C00246
KEGG Compound
But-2-enoic acid
1.0
Myristic acid
4445834
ChemSpider
CHEBI:86544
ChEBI
CHEBI:37099
ChEBI
1.0
Coenzyme A
C02679
KEGG Compound
C01585
KEGG Compound
C00010
KEGG Compound
1.0
4472286
ChemSpider
334-48-5
CAS
1.0
8892
PubChem-compound
CHEBI:42539
ChEBI
1.0
HMDB0010722
HMDB
HMDB0010721
HMDB
HMDB0010720
HMDB
C00383
KEGG Compound
388783
ChemSpider
C00024
KEGG Compound
SMILES
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O
HMDB0010719
HMDB
HMDB0010718
HMDB
HMDB0010717
HMDB
1.0
ACET
BioCyc
1.0
3-oxohexanoic acid
1.0
4472229
ChemSpider
4472223
ChemSpider
C3H4O4
Malonic acid
104.010956
Reaction2191
false
Caprylic acid + Malonic acid → 3-oxodecanoic acid
LEFT_TO_RIGHT
C00033
KEGG Compound
Reaction2192
false
3-oxodecanoic acid → (R)-3-Hydroxydecanoic acid
LEFT_TO_RIGHT
Reaction2190
false
trans-2-Octenoic acid → Caprylic acid
LEFT_TO_RIGHT
CHEBI:18037
ChEBI
Reaction2188
false
3-oxooctanoic acid → (R)-3-Hydroxyoctanoic acid
LEFT_TO_RIGHT
Reaction2189
false
(R)-3-Hydroxyoctanoic acid → trans-2-Octenoic acid
LEFT_TO_RIGHT
Reaction2186
false
trans-Hex-2-enoic acid → Caproic acid
LEFT_TO_RIGHT
Reaction2187
false
Caproic acid + Malonic acid → 3-oxooctanoic acid
LEFT_TO_RIGHT
Reaction2184
false
3-oxohexanoic acid → (R)-3-Hydroxyhexanoic acid
LEFT_TO_RIGHT
Reaction2185
false
(R)-3-Hydroxyhexanoic acid → trans-Hex-2-enoic acid
LEFT_TO_RIGHT
5312798
PubChem-compound
Reaction2182
false
But-2-enoic acid → Butyric acid
LEFT_TO_RIGHT
Reaction2183
false
Butyric acid + Malonic acid → 3-oxohexanoic acid
LEFT_TO_RIGHT
334-49-6
CAS
(R)-3-Hydroxy-hexadecanoic acid
Reaction2180
false
Acetoacetic acid → 3-Hydroxybutyric acid
LEFT_TO_RIGHT
Reaction2181
false
3-Hydroxybutyric acid → But-2-enoic acid
LEFT_TO_RIGHT
C00164
KEGG Compound
Reaction2177
false
Acetic acid + Malonic acid → Acetoacetic acid
LEFT_TO_RIGHT
Reaction2178
false
Acetyl-CoA → Acetic acid + Coenzyme A
LEFT_TO_RIGHT
SMILES
CCCC(=O)CC(O)=O
1.0
Reaction2179
false
Malonyl-CoA → Coenzyme A + Malonic acid
LEFT_TO_RIGHT
MALONATE
BioCyc
C14H28O2
Myristic acid
228.20892
(R)-3-Hydroxydodecanoic acid
SMILES
CC(O)=O
4380-91-0
CAS
SMILES
CCCC(O)=O
P49327
UniProt
HMDB0000039
HMDB
57-10-3
CAS
SMILES
CCCCCCCCCC(O)=O
C6H12O2
Caproic acid
116.08373
2863
ChemSpider
C02367
KEGG Compound
428
ChemSpider
C02122
KEGG Compound
21865352
ChemSpider
SMILES
CC(=O)CC(O)=O
Reaction2197
false
(R)-3-Hydroxydodecanoic acid → trans-Dodec-2-enoic acid
LEFT_TO_RIGHT
Reaction2198
false
trans-Dodec-2-enoic acid → Dodecanoic acid
LEFT_TO_RIGHT
Reaction2195
false
Capric acid + Malonic acid → 3-oxododecanoic acid
LEFT_TO_RIGHT
Reaction2196
false
3-oxododecanoic acid → (R)-3-Hydroxydodecanoic acid
LEFT_TO_RIGHT
Reaction2193
false
(R)-3-Hydroxydecanoic acid → trans-Dec-2-enoic acid
LEFT_TO_RIGHT
Reaction2194
false
trans-Dec-2-enoic acid → Capric acid
LEFT_TO_RIGHT
HMDB0000042
HMDB
143-07-7
CAS
(R)-3-Hydroxyoctanoic acid
C00083
KEGG Compound
SubPathwayInteraction740
SubPathway740Reaction
SubPathwayReaction
C8H14O2
trans-2-Octenoic acid
142.09938
4450466
ChemSpider
844
ChemSpider
5312861
PubChem-compound
960
ChemSpider
HMDB0000060
HMDB
388729
ChemSpider
C8H16O2
Caprylic acid
144.11504
96
PubChem-compound
Acetic acid
985
PubChem-compound
Acetoacetic acid
444493
PubChem-compound
1OXO2YLIDENE
BioCyc
399829
ChemSpider
SMILES
CCC\C=C\C(O)=O
SMILES
CCC[C@@H](O)CC(O)=O
SMILES
CCCCCC(=O)CC(O)=O
10663
PubChem-compound
SMILES
C\C=C\C(O)=O
SMILES
CCCCCCCCCC(=O)CC(O)=O
SMILES
CCCCCCC\C=C\C(O)=O
2969
PubChem-compound
SMILES
CCCCCCCCC\C=C\C(O)=O
ACETYL-COA
BioCyc
SMILES
[H][C@@](O)(CCCCCCCCC)CC(O)=O
SMILES
[H][C@@](O)(CCCCC)CC(O)=O
1.0
SMILES
[H][C@@](O)(CCCCCCC)CC(O)=O
SMILES
CCCCCCCC(=O)CC(O)=O
3756
ChemSpider
454064
PubChem-compound
3-oxooctanoic acid
SMILES
[H][C@@](O)(CCCCCCCCCCC)CC(O)=O
SMILES
CCCCCCCCCCCC(=O)CC(O)=O
SMILES
CCCCCCCCCCC\C=C\C(O)=O
SMILES
[H][C@@](O)(CCCCCCCCCCCCC)CC(O)=O
SMILES
CCCCCCCCCCCCCC(=O)CC(O)=O
SMILES
[H]\C(CCCCCCCCCCCCC)=C(\[H])C(O)=O
CHEBI:44680
ChEBI
HMDB0001175
HMDB
Trans-Hexa-dec-2-enoic acid
C2H4O2
Acetic acid
60.02113
C4H8O2
Butyric acid
88.05243
C01089
KEGG Compound
8552
ChemSpider
259
ChemSpider
C10H20O2
Capric acid
172.14633
64-19-7
CAS
HMDB0000535
HMDB
370
ChemSpider
Acetyl-CoA
SubPathwayOutput
439717
PubChem-compound
13283-91-5
CAS
C06424
KEGG Compound
C06423
KEGG Compound
6816
PubChem-compound
141-82-2
CAS
C4H6O3
Acetoacetic acid
102.03169
Malonyl-CoA
3-oxodecanoic acid
SubPathwayInteraction739
SubPathwayReaction
SubPathway739Reaction
264
PubChem-compound
8373213
ChemSpider
GO:0005829
GENE ONTOLOGY
trans-2-Octenoic acid
Fatty Acid Metabolism
SubPathway
CHEBI:20067
ChEBI
C12H24O2
Dodecanoic acid
200.17763
Citric Acid Cycle
SubPathway
379
PubChem-compound
1.0
trans-Hex-2-enoic acid
C4H8O3
3-Hydroxybutyric acid
104.04734
1.0
3724-65-0
CAS
107-92-6
CAS
C16H32O2
Palmitic acid
256.24023
114191
ChemSpider
Butyric acid
1.0
CPD-335
BioCyc
C6H10O2
trans-Hex-2-enoic acid
114.06808
CHEBI:28837
ChEBI
C4H6O2
But-2-enoic acid
86.03678
C6H10O3
3-oxohexanoic acid
130.06299
C6H12O3
(R)-3-Hydroxyhexanoic acid
132.07864
441
PubChem-compound
C8H14O3
3-oxooctanoic acid
158.0943
1.0
C8H16O3
(R)-3-Hydroxyoctanoic acid
160.10994
C10H18O3
3-oxodecanoic acid
186.1256
HMDB0001423
HMDB
1.0
5282743
PubChem-compound
C12H22O3
3-oxododecanoic acid
214.15689
C12H24O3
(R)-3-Hydroxydodecanoic acid
216.17255
5282982
PubChem-compound
C10H20O3
(R)-3-Hydroxydecanoic acid
188.14125
SMILES
CCCCCCCCCCCC(O)=O
C10H18O2
trans-Dec-2-enoic acid
170.13068
HMDB0000691
HMDB
3-oxododecanoic acid
CHEBI:15531
ChEBI
1.0
1.0
Q13085
UniProt
544-63-8
CAS
4446124
ChemSpider
10539
ChemSpider
C14H28O3
(R)-3-Hydroxy-tetradecanoic acid
244.20384
C14H26O2
trans-Tetra-dec-2-enoic acid
226.19328
C12H22O2
trans-Dodec-2-enoic acid
198.16199
SMILES
CC(O)CC(O)=O
C14H26O3
3-oxotetradecanoic acid
242.1882
C16H32O3
(R)-3-Hydroxy-hexadecanoic acid
272.23514
C16H30O2
Trans-Hexa-dec-2-enoic acid
254.22458
SMP0000051
SMPDB
C16H30O3
3-oxohexadecanoic acid
270.21948
SMILES
CCCCCCCCCCCCCCCC(O)=O
SMP0000057
SMPDB
1.0
5282738
PubChem-compound
HMDB0000220
HMDB
1.0
637090
PubChem-compound
Capric acid
3893
PubChem-compound
HMDB0001568
HMDB
HMDB0000357
HMDB
HMDB0001206
HMDB
1.0
10197713
PubChem-compound
439658
PubChem-compound
CHEBI:15756
ChEBI
SMILES
CCCCC\C=C\C(O)=O
3-oxotetradecanoic acid
5282997
PubChem-compound
SMILES
CCCCCCCC(O)=O
CHEBI:43197
ChEBI
HMDB0000482
HMDB
1.0
4446109
ChemSpider
Acetyl-CoA carboxylase 1
(R)-3-Hydroxydecanoic acid
3-KETOBUTYRATE
BioCyc
HMDB0010733
HMDB
HMDB0010732
HMDB
HMDB0010731
HMDB
Caprylic acid
HMDB0010730
HMDB
HMDB0000806
HMDB
23511544
PubChem-compound
CHEBI:1146900
ChEBI
HMDB0010729
HMDB
HMDB0010728
HMDB
HMDB0010727
HMDB
HMDB0010726
HMDB
HMDB0010725
HMDB
HMDB0010724
HMDB
1.0
5282707
PubChem-compound
(R)-3-Hydroxyhexanoic acid
4445870
ChemSpider
CO-A
BioCyc
CPD-8475
BioCyc
72-89-9
CAS
1.0
ReactionCatalysis2028
ACTIVATION
ReactionCatalysis2027
ACTIVATION
CHEBI:28875
ChEBI
C21H36N7O16P3S
Coenzyme A
767.11523
ReactionCatalysis2029
ACTIVATION
HMDB0010735
HMDB
HMDB0010734
HMDB
ReactionCatalysis2026
ACTIVATION
10213
ChemSpider
5288266
PubChem-compound
Acetyl-CoA carboxylase 1
4445865
ChemSpider
6557
ChemSpider
Homo sapiens
SMILES
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
524-14-1
CAS
CHEBI:50467
ChEBI
ReactionCatalysis2039
ACTIVATION
5282724
PubChem-compound
ReactionCatalysis2038
ACTIVATION
Fatty acid synthase
CHEBI:30813
ChEBI
Malonic acid
300-85-6
CAS
ReactionCatalysis2031
ACTIVATION
ReactionCatalysis2030
ACTIVATION
ReactionCatalysis2033
ACTIVATION
ReactionCatalysis2032
ACTIVATION
5282729
PubChem-compound
Fatty Acid Biosynthesis
ReactionCatalysis2035
ACTIVATION
ReactionCatalysis2034
ACTIVATION
ReactionCatalysis2037
ACTIVATION
ReactionCatalysis2036
ACTIVATION
4445851
ChemSpider
ReactionCatalysis2040
ACTIVATION
ReactionCatalysis2049
ACTIVATION
Palmitic acid
SubPathwayInput
1.0
ReactionCatalysis2042
ACTIVATION
ReactionCatalysis2041
ACTIVATION
CHEBI:30805
ChEBI
ReactionCatalysis2044
ACTIVATION
ReactionCatalysis2043
ACTIVATION
ReactionCatalysis2046
ACTIVATION
1.0
ReactionCatalysis2045
ACTIVATION
4445856
ChemSpider
5282714
PubChem-compound
ReactionCatalysis2047
ACTIVATION
9606
TAXONOMY
CHEBI:15366
ChEBI
PW000023
PathWhiz
CHEBI:37271
ChEBI
392413
ChemSpider
CHEBI:37270
ChEBI
SMILES
CCCCCCCCCCCCCC(O)=O
CHEBI:38247
ChEBI
1.0
CHEBI:37157
ChEBI
171
ChemSpider
C24H38N7O19P3S
Malonyl-CoA
853.1156
SMP0000456
SMPDB
SMILES
CCCCCC(O)=O
SMILES
OC(=O)CC(O)=O
124-07-2
CAS
(R)-3-Hydroxy-tetradecanoic acid
128859
PubChem-compound
1.0
CHEBI:15344
ChEBI
trans-Dec-2-enoic acid
CHEBI:37251
ChEBI
CHEBI:37252
ChEBI
PW000005
PathWhiz
CHEBI:28422
ChEBI
Reaction2200
false
Dodecanoic acid + Malonic acid → 3-oxotetradecanoic acid
LEFT_TO_RIGHT
1.0
HMDB0000511
HMDB
Reaction2207
false
(R)-3-Hydroxy-hexadecanoic acid → Trans-Hexa-dec-2-enoic acid
LEFT_TO_RIGHT
Reaction2208
false
Trans-Hexa-dec-2-enoic acid → Palmitic acid
LEFT_TO_RIGHT
Reaction2205
false
Malonic acid + Myristic acid → 3-oxohexadecanoic acid
LEFT_TO_RIGHT
541-50-4
CAS
Reaction2206
false
3-oxohexadecanoic acid → (R)-3-Hydroxy-hexadecanoic acid
LEFT_TO_RIGHT
Reaction2203
false
(R)-3-Hydroxy-tetradecanoic acid → trans-Tetra-dec-2-enoic acid
LEFT_TO_RIGHT
Reaction2204
false
trans-Tetra-dec-2-enoic acid → Myristic acid
LEFT_TO_RIGHT
Reaction2201
false
3-oxotetradecanoic acid → (R)-3-Hydroxy-tetradecanoic acid
LEFT_TO_RIGHT
HMDB0000638
HMDB
CHEBI:15351
ChEBI
176
PubChem-compound
15569776
PubChem-compound
85-61-0
CAS
MALONYL-COA
BioCyc